(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide

C17H24N2O3 — CID 95292067

IUPAC(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
SMILESC[C@H](NC(=O)CCOc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(17(21)19-14-7-5-6-8-14)18-16(20)11-12-22-15-9-3-2-4-10-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyAJNLGQUUYMKIBF-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.02
Rot. Bonds7

About (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide

(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide (PubChem CID 95292067) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
PubChem CID95292067
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
SMILESC[C@H](NC(=O)CCOc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C17H24N2O3/c1-13(17(21)19-14-7-5-6-8-14)18-16(20)11-12-22-15-9-3-2-4-10-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyAJNLGQUUYMKIBF-ZDUSSCGKSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
N-[cyclopentyl(thiophen-2-yl)methyl]-3-phenoxypropanamide
CID 47031450
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide (CID 95292067) is (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide is C[C@H](NC(=O)CCOc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide?
The InChIKey is AJNLGQUUYMKIBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(17(21)19-14-7-5-6-8-14)18-16(20)11-12-22-15-9-3-2-4-10-15/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide?
(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide is sourced from PubChem (CID 95292067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).